suramin

Ligand id: 1728

Name: suramin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 29
Hydrogen bond donors 12
Rotatable bonds 22
Topological polar surface area 534.03
Molecular weight 1296.05
XLogP 1.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
International Nonproprietary Names
INN number INN
2899 suramin sodium
Synonyms
CI-1003 | suramine
Database Links
BindingDB Ligand 50336799
CAS Registry No. 145-63-1
ChEBI CHEBI:45906
ChEMBL Ligand CHEMBL265502
DrugBank Ligand DB04786
PubChem CID 5361
RCSB PDB Ligand SVR
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Wikipedia Suramin
Comments
Suramin is an antiparasitic drug. It is also used in research as a broad-spectrum P2 receptor antagonist [1,5] and as a ryanodine receptor agonist [13].
Evidence from studies in mice [7-9], and from an early phase clinical trial suggest antipurinergic therapy (using suramin or other antipurinergic compounds) as a potential lead in the search for pharmacotherapeutic intervention in children with autism spectrum disorder (see Phase 1/2 clinical trial NCT02508259).